Figure 1.
The schematic description of the procedure to generate DUD. Molecular weight (MW), number of hydrogen bond acceptors (HBacc), number of hydrogen bond donors (HBdon), number of rotatable bonds (RB). * We note that a Tc less than 0.9 for CACTVS type 2 fingerprints roughly corresponds to a Tc less than about 0.7 for the Daylight fingerprints.